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Information card for entry 7229977
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| Coordinates | 7229977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [CuL30bSCN] |
|---|---|
| Formula | C14 H17 Cu N3 O3 S |
| Calculated formula | C14 H17 Cu N3 O3 S |
| SMILES | c1cccc2C[N]3[Cu]([n]12)(N=C=S)(OC(=C(C=3)C(=O)C)C)[OH]C |
| Title of publication | Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties |
| Authors of publication | Dankhoff, Katja; Weber, Birgit |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 6 |
| Pages of publication | 818 |
| a | 9.8474 ± 0.0005 Å |
| b | 15.5449 ± 0.0006 Å |
| c | 10.2348 ± 0.0006 Å |
| α | 90° |
| β | 92.59 ± 0.004° |
| γ | 90° |
| Cell volume | 1565.11 ± 0.14 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1957 |
| Weighted residual factors for all reflections included in the refinement | 0.2042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229011 (current) | 2019-11-17 | cif/ Updating files of 7229962, 7229963, 7229964, 7229965, 7229966, 7229967, 7229968, 7229969, 7229970, 7229971, 7229972, 7229973, 7229974, 7229975, 7229976, 7229977, 7229978, 7229979, 7229980, 7229981, 7229982, 7229983, 7229984, 7229985, 7229986, 7229987 Original log message: Adding full bibliography for 7229962--7229987.cif. |
7229977.cif |
| 205237 | 2018-01-16 | cif/ Adding structures of 7229962, 7229963, 7229964, 7229965, 7229966, 7229967, 7229968, 7229969, 7229970, 7229971, 7229972, 7229973, 7229974, 7229975, 7229976, 7229977, 7229978, 7229979, 7229980, 7229981, 7229982, 7229983, 7229984, 7229985, 7229986, 7229987 via cif-deposit CGI script. |
7229977.cif |
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